SCHEMBL4254787

SCHEMBL4254787

O=C(O)c1cnc(Nc2ccccn2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.63
KDR P35968 5/20 0.60
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
MAPK11 Q15759 3/20 0.51
MAPK14 Q16539 3/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
MAPK10 P53779 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NTRK1 P04629 1/20 0.46
PLA2G1B P04054 1/20 0.46
MAPT P10636 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31039816 1.00 LCK (0.63) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL4252563 0.81 MAPK14 (0.74) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL774811 0.78 LCK (1.00) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL525976 0.78 KDR (0.58) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL27950830 0.77 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL772868 0.76 LCK (1.00) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL19205380 0.75 LCK (0.43) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL6179920 0.75 KDR (1.00) LCKKDR
SCHEMBL4250552 0.75 KDR (0.59) LCKKDRMAPK13MAPK12MAPK11
SCHEMBL2491213 0.75 RAB9A (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-12325702-B2 ATF6 inhibitors and uses thereof ALTOS LABS, INC. (US) 2025-06-10 US disclosed
US-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2024-04-18 US disclosed
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2021-07-22 US disclosed
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2021-07-22 US disclosed
EP-3774782-A2 ATF6 INHIBITORS AND USES THEREOF Black Belt TX Ltd (GB) 2021-02-17 EP disclosed
CN-112313224-A ATF6 inhibitors and uses thereof 黑带医疗有限责任公司 2021-02-02 CN disclosed
US-10829485-B2 ATF6 inhibitors and uses thereof BLACK BELT TX LTD (GB) 2020-11-10 US disclosed
US-10829485-B2 ATF6 inhibitors and uses thereof BLACK BELT TX LTD (GB) 2020-11-10 US disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 LCK 3014/4885KDR 3109/4885MAPK13 408/4885
US-12325702-B2 ATF6 inhibitors and uses thereof ATF4, XBP1, ATF1 LCK 3014/4885KDR 3109/4885MAPK13 408/4885
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB LCK 56/4885KDR 172/4885MAPK13 392/4885
US-10829485-B2 ATF6 inhibitors and uses thereof ATF4, XBP1, ATF1 LCK 3014/4885KDR 3109/4885MAPK13 408/4885
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 LCK 3014/4885KDR 3109/4885MAPK13 408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.